Browse entries in the PDBbind-CN Database

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Related entries of code: 5ieo
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5iepRCSB PDB    PDBbind137aa, >5IEP_1|Chain... at 94%
5ienRCSB PDB    PDBbind137aa, >5IEN_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5iepRCSB PDB    PDBbindVDY
5ienRCSB PDB    PDBbindVDY
Entry Information
PDB ID5ieo
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCDL2.3a
Ligand NameVDY
EC.Number E.C.-.-.-.-
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)Kd=100nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Protein Eng.Des.Sel. Vol. 31: pp. 375-387
Ligand Properties
Formula C27H46O2
Molecular Weight 402.653
Exact Mass 402.350
No. of atoms 75
No. of bonds 77
Polar Surface Area 40.46
LOGP Value 6.47      (Computed with XLOGP3)
6.81      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 3
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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